{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 10.8361 0 0 ] "si-unit" "m" "si-value" [ 1.08361e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.16509 9.32986 0 ] "si-unit" "m" "si-value" [ -5.16509e-10 9.32986e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.338382 0.285992 10.2675 ] "si-unit" "m" "si-value" [ 3.38382e-11 2.85992e-11 1.02675e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.226915 0.0279141 0.00178709 ] [ 0.00521394 -0.00120898 2.61988 ] [ 0.111086 -0.00441851 5.39688 ] [ -0.00811775 0.00988404 7.76446 ] [ -1.26892 2.00974 -0.128773 ] [ -1.51778 2.36617 2.46995 ] [ -1.29504 2.30049 5.2473 ] [ -1.58222 2.22335 7.67671 ] [ -2.57393 4.57709 0.303636 ] [ -2.71158 4.50657 2.20402 ] [ -2.29766 4.85067 5.36604 ] [ -2.53013 5.02991 7.91092 ] [ -4.04953 6.9583 -0.290266 ] [ -3.92011 6.89235 2.29412 ] [ -3.94024 6.80767 5.1746 ] [ -4.02059 6.91717 8.22515 ] [ 2.55027 0.0107665 0.137903 ] [ 2.73854 0.0758287 2.41415 ] [ 2.88705 0.428661 5.25833 ] [ 2.96792 0.198107 8.129 ] [ 1.17194 2.3249 0.241827 ] [ 1.411 2.209 2.91902 ] [ 1.2891 1.94714 4.88894 ] [ 1.29288 2.19289 7.8659 ] [ 0.00639291 4.77216 0.0234148 ] [ -0.0213263 4.6438 2.62467 ] [ -0.236535 4.59722 5.02665 ] [ 0.0198478 4.59769 7.81845 ] [ -1.31921 6.83806 0.0664341 ] [ -1.28766 6.8641 2.75104 ] [ -1.23014 7.04914 5.08588 ] [ -1.40792 7.24847 7.99066 ] [ 5.56053 0.0385699 0.241581 ] [ 5.15835 0.216277 2.54291 ] [ 5.29544 0.000750747 5.09452 ] [ 5.36985 0.0699487 7.97644 ] [ 4.01598 2.01186 -0.260287 ] [ 4.01533 2.24671 2.48669 ] [ 3.98846 2.29098 4.91301 ] [ 4.10827 2.29632 7.85242 ] [ 2.56747 4.49522 -0.138841 ] [ 2.86035 4.53832 2.45489 ] [ 2.68672 4.96676 5.26116 ] [ 2.68347 4.4963 7.37849 ] [ 1.31877 6.83213 0.0410508 ] [ 1.66677 6.5533 2.52828 ] [ 1.32642 6.86023 5.17956 ] [ 1.00003 7.08995 7.7783 ] [ 7.8962 0.0196713 0.322052 ] [ 7.8775 -0.259473 2.75098 ] [ 7.6397 0.0359307 5.05376 ] [ 7.97203 0.0567385 7.89895 ] [ 6.56802 2.27165 -0.144672 ] [ 6.42437 2.2899 2.41541 ] [ 6.57384 2.26553 5.04812 ] [ 6.62454 2.30565 7.76409 ] [ 5.0871 4.70438 -0.418777 ] [ 5.46675 4.43674 2.45804 ] [ 5.64549 4.39342 5.3916 ] [ 5.30187 4.59667 7.61215 ] [ 3.96645 6.8464 -0.0435212 ] [ 4.05575 6.85317 2.31994 ] [ 4.07639 6.7929 5.46762 ] [ 3.90254 6.79284 7.72497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.26915e-11 2.79141e-12 1.78709e-13 ] [ 5.21394e-13 -1.20898e-13 2.6198800000000003e-10 ] [ 1.11086e-11 -4.41851e-13 5.39688e-10 ] [ -8.11775e-13 9.88404e-13 7.76446e-10 ] [ -1.26892e-10 2.00974e-10 -1.28773e-11 ] [ -1.51778e-10 2.36617e-10 2.46995e-10 ] [ -1.29504e-10 2.30049e-10 5.2473e-10 ] [ -1.5822200000000001e-10 2.2233500000000001e-10 7.67671e-10 ] [ -2.57393e-10 4.57709e-10 3.03636e-11 ] [ -2.71158e-10 4.50657e-10 2.20402e-10 ] [ -2.2976600000000002e-10 4.85067e-10 5.36604e-10 ] [ -2.53013e-10 5.02991e-10 7.91092e-10 ] [ -4.04953e-10 6.958300000000001e-10 -2.9026600000000004e-11 ] [ -3.9201100000000003e-10 6.89235e-10 2.29412e-10 ] [ -3.9402400000000003e-10 6.80767e-10 5.1746e-10 ] [ -4.0205900000000005e-10 6.917169999999999e-10 8.225149999999999e-10 ] [ 2.5502699999999997e-10 1.07665e-12 1.37903e-11 ] [ 2.73854e-10 7.58287e-12 2.41415e-10 ] [ 2.88705e-10 4.28661e-11 5.258330000000001e-10 ] [ 2.96792e-10 1.98107e-11 8.129e-10 ] [ 1.17194e-10 2.3249000000000002e-10 2.41827e-11 ] [ 1.411e-10 2.209e-10 2.91902e-10 ] [ 1.2891e-10 1.9471400000000003e-10 4.88894e-10 ] [ 1.29288e-10 2.19289e-10 7.8659e-10 ] [ 6.39291e-13 4.772160000000001e-10 2.3414800000000002e-12 ] [ -2.13263e-12 4.6438e-10 2.62467e-10 ] [ -2.36535e-11 4.59722e-10 5.02665e-10 ] [ 1.98478e-12 4.59769e-10 7.818450000000001e-10 ] [ -1.31921e-10 6.83806e-10 6.64341e-12 ] [ -1.28766e-10 6.8641e-10 2.7510400000000005e-10 ] [ -1.23014e-10 7.04914e-10 5.085880000000001e-10 ] [ -1.40792e-10 7.24847e-10 7.990660000000001e-10 ] [ 5.56053e-10 3.85699e-12 2.41581e-11 ] [ 5.158350000000001e-10 2.16277e-11 2.54291e-10 ] [ 5.29544e-10 7.50747e-14 5.094520000000001e-10 ] [ 5.36985e-10 6.994870000000001e-12 7.976440000000001e-10 ] [ 4.01598e-10 2.01186e-10 -2.60287e-11 ] [ 4.01533e-10 2.2467100000000002e-10 2.4866899999999997e-10 ] [ 3.98846e-10 2.29098e-10 4.91301e-10 ] [ 4.1082700000000004e-10 2.2963200000000003e-10 7.852420000000001e-10 ] [ 2.5674700000000004e-10 4.49522e-10 -1.38841e-11 ] [ 2.86035e-10 4.53832e-10 2.45489e-10 ] [ 2.6867200000000003e-10 4.966760000000001e-10 5.26116e-10 ] [ 2.68347e-10 4.4963e-10 7.378490000000001e-10 ] [ 1.3187700000000001e-10 6.832130000000001e-10 4.10508e-12 ] [ 1.66677e-10 6.553300000000001e-10 2.5282800000000003e-10 ] [ 1.32642e-10 6.86023e-10 5.179560000000001e-10 ] [ 1.00003e-10 7.08995e-10 7.7783e-10 ] [ 7.896200000000001e-10 1.96713e-12 3.22052e-11 ] [ 7.877500000000001e-10 -2.59473e-11 2.7509800000000005e-10 ] [ 7.639700000000001e-10 3.5930700000000006e-12 5.053759999999999e-10 ] [ 7.97203e-10 5.67385e-12 7.898950000000001e-10 ] [ 6.56802e-10 2.2716500000000004e-10 -1.44672e-11 ] [ 6.42437e-10 2.2899e-10 2.4154100000000003e-10 ] [ 6.57384e-10 2.26553e-10 5.048120000000001e-10 ] [ 6.62454e-10 2.30565e-10 7.764090000000001e-10 ] [ 5.087100000000001e-10 4.70438e-10 -4.1877700000000005e-11 ] [ 5.466750000000001e-10 4.4367400000000006e-10 2.45804e-10 ] [ 5.64549e-10 4.39342e-10 5.3916e-10 ] [ 5.30187e-10 4.59667e-10 7.61215e-10 ] [ 3.9664500000000003e-10 6.8464e-10 -4.352120000000001e-12 ] [ 4.0557499999999997e-10 6.85317e-10 2.31994e-10 ] [ 4.07639e-10 6.7929e-10 5.46762e-10 ] [ 3.90254e-10 6.79284e-10 7.72497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5915761 -5.9532307 2.3792292 ] [ 7.5842881 2.0290689 -6.8337301 ] [ -0.3898581 -2.1028808 -0.9297122 ] [ 3.8828751 1.0318212 5.8461491 ] [ -6.6007126 -4.2395683 3.9335313 ] [ 1.7533816 2.0664669 -6.6330103 ] [ 7.0054003 0.9767858 -0.4417261 ] [ -3.9134412 -3.4559957 4.7738495 ] [ 5.465592 4.58883 -17.3243258 ] [ -8.4103521 2.9410321 12.2821511 ] [ -9.928308 5.0764558 6.7175973 ] [ 7.1699175 -2.2317577 -1.0840298 ] [ 2.1761251 8.215848 25.6009742 ] [ 8.9497546 -1.596063 -6.0932122 ] [ 1.85884 -4.7635665 0.7406332 ] [ -5.7379428 -0.03238229999999983 -16.8897536 ] [ 1.1731614 1.0621575 0.6865446 ] [ -3.6480043 1.9810042 1.1603935 ] [ -0.2479251 -4.3133151 1.9001429 ] [ -4.655972 3.3765421 -2.2325769 ] [ 3.4780701 7.6281601 -0.689315 ] [ 0.7870645 -5.8722378 -15.2800445 ] [ -8.433915 1.0443495 7.2135454 ] [ 1.2275646 2.6114591 4.7297237 ] [ 0.049642 -4.545243 2.064742 ] [ -2.5786719 4.3446833 -5.599048 ] [ 4.4903056 -4.2171685 -1.4904017 ] [ 5.1196682 0.6482536 3.0875778 ] [ -0.7141933 -2.3737969 6.0008316 ] [ -6.8381965 -3.6302548 -8.0850989 ] [ 5.8516353 4.5965131 0.2479624 ] [ -0.631966 -1.9102414 -0.4681768 ] [ -1.0740342 -4.2199871 -5.8497755 ] [ 1.9345759 -3.6462894 5.2604743 ] [ -2.4739793 -6.093298 -4.0721335 ] [ 9.4556532 3.2968377 4.0502269 ] [ 2.6042699 -1.5321663 5.5670099 ] [ -6.854406 6.1102113 -0.4661348 ] [ 7.2566955 5.3416051 -0.2000852 ] [ -2.4393419 9.4664492 -5.2576164 ] [ -4.5676262 -4.1224763 6.3890644 ] [ 7.9327876 -3.8111754 -6.158723 ] [ -0.4294608 -0.14118509999999998 -3.0409504 ] [ -0.3950443 -6.2472111 7.5681938 ] [ 2.4073405 1.7059473 -3.9765424 ] [ -3.783897 1.2069848 3.393913 ] [ -6.934882 3.2582104 2.0772757 ] [ 0.9319311 -5.5141069 -2.0141207 ] [ 4.2022611 6.433457 -5.0556143 ] [ 2.9546335 -7.3913358 -1.8817221 ] [ 0.2569034 -1.5600019 0.0979608 ] [ -3.4970862 3.8974037 4.1528884 ] [ -1.3237797 -0.880101 5.2494417 ] [ 2.9837025 -0.11115000000000001 1.0515414 ] [ -3.3329088 -0.5607978 -2.542144 ] [ 2.9678462 -0.07343479999999995 -4.2850461 ] [ -3.5088761 0.20959929999999996 1.4631166 ] [ 0.2450659 1.5246058 -0.3385019 ] [ 1.8046214 3.5517736 -1.5149844 ] [ -4.1704545 -2.3276399 0.2643295 ] [ -5.9361716 0.047056600000000046 -4.7434698 ] [ -3.5517139 4.1340842 1.3613799 ] [ 1.8712009 0.7980631 -1.3425615 ] [ 0.7619232 -5.7316609 5.5018925 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.5499860386528474e-09 -9.538127124351463e-09 3.811945431170513e-09 ] [ 1.2151369179344256e-08 3.2509267803560824e-09 -1.0948842689282484e-08 ] [ -6.246215383956354e-10 -3.369186481847227e-09 -1.4895631631847347e-09 ] [ 6.221051757960414e-09 1.6531598171058408e-09 9.36656348690013e-09 ] [ -1.0575507495469388e-08 -6.792537268507102e-09 6.3022119379676436e-09 ] [ 2.8092270300055343e-09 3.3108449821144146e-09 -1.062725411574133e-08 ] [ 1.122388867247659e-08 1.5649833851829974e-09 -7.077232360479474e-10 ] [ -6.270024049172921e-09 -5.537115557744473e-09 7.648550123132582e-09 ] [ 8.756843793377327e-09 7.352116203398219e-09 -2.775662999656336e-08 ] [ -1.3474869618332833e-08 4.712052910463952e-09 1.9678175507677398e-08 ] [ -1.590690309275527e-08 8.133378866293777e-09 1.0762777430681489e-08 ] [ 1.1487474286207696e-08 -3.575670039689582e-09 -1.736807216119693e-09 ] [ 3.4865367878809136e-09 1.3163239694095632e-08 4.101728267087684e-08 ] [ 1.4339087700154018e-08 -2.557174844991942e-09 -9.762402212843735e-09 ] [ 2.97819001434456e-09 -7.63207494080516e-09 1.1866252074046487e-09 ] [ -9.193197881388536e-09 -5.1882164415177926e-11 -2.7060368571937382e-08 ] [ 1.8796117829907273e-09 1.7017639281278552e-09 1.0999657163188763e-09 ] [ -5.844747250191526e-09 3.173918641095863e-09 1.8591553519454792e-09 ] [ -3.972198022021134e-10 -6.910692668299373e-09 3.0443645556409985e-09 ] [ -7.459689546958248e-09 5.409816856337292e-09 -3.576982542788155e-09 ] [ 5.572482645634043e-09 1.2221659872631103e-08 -1.10440438646571e-09 ] [ 1.261016351350893e-09 -9.408362192451565e-09 -2.4481330264380214e-08 ] [ -1.3512621546142112e-08 1.6732323666295831e-09 1.1557373888178183e-08 ] [ 1.9667753188455565e-09 4.184018750666669e-09 7.577852797416026e-09 ] [ 7.953525246502799e-11 -7.282282130452062e-09 3.3080813876384277e-09 ] [ -4.131487864932384e-09 6.960950065390012e-09 -8.970663878244432e-09 ] [ 7.194262711839351e-09 -6.756648832340828e-09 -2.3878867790138777e-09 ] [ 8.202612763872838e-09 1.0386167708263823e-09 4.946845006817125e-09 ] [ -1.1442638174193522e-09 -3.803241927041635e-09 9.614392174088834e-09 ] [ -1.095599865100058e-08 -5.816309416026343e-09 -1.2953756541159103e-08 ] [ 9.37535334834958e-09 7.364425886694906e-09 3.972795633905616e-10 ] [ -1.0125211586824441e-09 -3.060544136379448e-09 -7.501019295408912e-10 ] [ -1.720792499356883e-09 -6.761164727401421e-09 -9.372373620245667e-09 ] [ 3.0995323036795205e-09 -5.84199967748188e-09 8.428209007217506e-09 ] [ -3.963751827459676e-09 -9.762539679598932e-09 -6.5242771442286385e-09 ] [ 1.514962661624733e-08 5.282116329030302e-09 6.489178901578255e-09 ] [ 4.172500382409516e-09 -2.4548010452622343e-09 8.919333183026678e-09 ] [ -1.0981969133149404e-08 9.789637773662764e-09 -7.468302848542632e-10 ] [ 1.1626507970152947e-08 8.558194879275233e-09 -3.205718322492168e-10 ] [ -3.908256594517165e-09 1.5166923715187992e-08 -8.423630146615197e-09 ] [ -7.318143970486212e-09 -6.604935202078774e-09 1.0236409694801229e-08 ] [ 1.270972693520494e-08 -6.106176173955604e-09 -9.867362085878382e-09 ] [ -6.880720589789471e-10 -2.2620346828895336e-10 -4.872139676032953e-09 ] [ -6.329307468548863e-10 -1.0009135652085438e-08 1.212558326794367e-08 ] [ 3.856984699181877e-09 2.7332289028953883e-09 -6.371123317390281e-09 ] [ -6.062471358862698e-09 1.9338028441531633e-09 5.437648106428842e-09 ] [ -1.1110905899947189e-08 5.2202285715357935e-09 3.328162588915994e-09 ] [ 1.4931182329179173e-09 -8.834573232558174e-09 -3.2269771235957235e-09 ] [ 6.732764544387138e-09 1.0307534481243738e-08 -8.099987101976266e-09 ] [ 4.7338447557336385e-09 -1.1842225512807698e-08 -3.0148511803014115e-09 ] [ 4.116046246751556e-10 -2.4993985931756047e-09 1.569505048079472e-10 ] [ -5.602949796723851e-09 6.244329141405145e-09 6.653660758089646e-09 ] [ -2.12092890390353e-09 -1.410077257760034e-09 8.410532833285238e-09 ] [ 4.780418428307385e-09 -1.7808193286910003e-10 1.6847550607636478e-09 ] [ -5.339908602612979e-09 -8.984971315586052e-10 -4.072963717063296e-09 ] [ 4.7550138349456906e-09 -1.1765552068246312e-10 -6.865400737032827e-09 ] [ -5.621839299021047e-09 3.3581510096275616e-10 2.3441712293375244e-09 ] [ 3.9263885877018063e-10 2.442687788820877e-09 -5.423398347446047e-10 ] [ 2.8913222402963676e-09 5.690568671178063e-09 -2.4272726065545093e-09 ] [ -6.681804753060153e-09 -3.729290260146096e-09 4.23502548576903e-10 ] [ -9.510795432934394e-09 7.539298499548447e-11 -7.599876477644652e-09 ] [ -5.690473021233013e-09 6.623533108228583e-09 2.1811710657772565e-09 ] [ 2.9979943594997707e-09 1.2786380512776055e-09 -2.151020665007991e-09 ] [ 1.2207355479425089e-09 -9.18313316799141e-09 8.815003606279845e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -168.78979 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.704310575957669e-17 } }